[Ifeffit] unable to export xdi file in xas viewer

George Sterbinsky GeorgeSterbinsky at u.northwestern.edu
Thu Apr 30 23:37:50 CDT 2020


Hi Matt,

Thank you, it is now working for me too. In your previous email, you said,
"It probably should not even be trying to estimate the uncertainty in the
model." Why do you say that? Having the uncertainty in the fit parameters,
and therefore the centroid, could seemingly be useful.

George

On Wed, Apr 29, 2020 at 12:05 PM Matt Newville <newville at cars.uchicago.edu>
wrote:

> Hi George,
>
> Very sorry, that should have been
>  delta_fit = 0.0*result.best_fit
> It's now fixed in github master, and I verified that I could actually
> export a model from pre-edge peak fitting in XAS_Viewer.
>
>
>
> On Wed, Apr 29, 2020 at 10:31 AM George Sterbinsky <
> GeorgeSterbinsky at u.northwestern.edu> wrote:
>
>> Hi Matt and all,
>>
>> Unfortunately, after a clean install of larch following the source
>> installation instructions, I am not able export any fits to xdi files, and
>> a different error, shown below, is now printed in the terminal. Please let
>> me know if any additional information would be helpful in solving this
>> issue.
>>
>> Thank you,
>> George
>>
>>
>> Traceback (most recent call last):
>>   File
>> "/opt/anaconda3/lib/python3.7/site-packages/xraylarch-0.9.47-py3.7.egg/larch/wxxas/prepeak_panel.py",
>> line 366, in onExportFitResult
>>     yerr=yerr, x=x)
>>   File
>> "/opt/anaconda3/lib/python3.7/site-packages/xraylarch-0.9.47-py3.7.egg/larch/io/export_modelresult.py",
>> line 59, in export_modelresult
>>     delta_fit = 0.0*result_best_fit
>> NameError: name 'result_best_fit' is not defined
>>
>>
>>
>>
>> On Tue, Apr 21, 2020 at 9:25 AM Matt Newville <newville at cars.uchicago.edu>
>> wrote:
>>
>>> Hi George,
>>>
>>> Hm, sorry about that.  It seems to be saying that the parameter
>>> uncertainties weren't calculated correctly.  It probably should not even be
>>> trying to estimate the uncertainty in the model.  I believe it should be
>>> fixed in git master for larch, and I'll see about looking for this in lmfit
>>> too.
>>>
>>> On Mon, Apr 20, 2020 at 4:00 PM George Sterbinsky <
>>> GeorgeSterbinsky at u.northwestern.edu> wrote:
>>>
>>>> Hello,
>>>>
>>>> When attempting to export an xdi file for a pre-edge peak fit in XAS
>>>> viewer, the error message below prints to the terminal and the xdi file is
>>>> not generated. I can provide the project file and instructions for
>>>> generating the error message if that would be helpful.
>>>>
>>>> Thank you,
>>>> George
>>>>
>>>>
>>>> Traceback (most recent call last):
>>>>   File
>>>> "/anaconda3/lib/python3.7/site-packages/larch/wxxas/prepeak_panel.py", line
>>>> 369, in onExportFitResult
>>>>     yerr=yerr, x=x)
>>>>   File
>>>> "/anaconda3/lib/python3.7/site-packages/larch/io/export_modelresult.py",
>>>> line 60, in export_modelresult
>>>>     delta_fit = result.eval_uncertainty(result.params, **kwargs)
>>>>   File "/anaconda3/lib/python3.7/site-packages/lmfit/model.py", line
>>>> 1488, in eval_uncertainty
>>>>     dval = pars[pname].stderr/3.0
>>>> TypeError: unsupported operand type(s) for /: 'NoneType' and 'float'
>>>> _______________________________________________
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>>>
>>>
>>> --
>>> --Matt Newville <newville at cars.uchicago.edu> 630-252-0431
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>
>
> --
> --Matt Newville <newville at cars.uchicago.edu> 630-252-0431
> _______________________________________________
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